N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide

C18H24N4O2 — CID 111144978

IUPACN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(/NCCN1C(=O)c2ccccc2C1=O)N1CCCC(C)C1
InChIInChI=1S/C18H24N4O2/c1-13-6-5-10-21(12-13)18(19-2)20-9-11-22-16(23)14-7-3-4-8-15(14)17(22)24/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyASZDPOGNMKULBP-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.59
Rot. Bonds3

About N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide (PubChem CID 111144978) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
PubChem CID111144978
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(/NCCN1C(=O)c2ccccc2C1=O)N1CCCC(C)C1
InChIInChI=1S/C18H24N4O2/c1-13-6-5-10-21(12-13)18(19-2)20-9-11-22-16(23)14-7-3-4-8-15(14)17(22)24/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyASZDPOGNMKULBP-UHFFFAOYSA-N
XLogP1.59
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722785
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145101
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480747
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426678
1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine
CID 110956996
N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide
CID 111144474
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]acetamide
CID 111145258
N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
CID 111145936
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915311
N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111146016
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide (CID 111144978) is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide is C/N=C(/NCCN1C(=O)c2ccccc2C1=O)N1CCCC(C)C1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
The InChIKey is ASZDPOGNMKULBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-5-10-21(12-13)18(19-2)20-9-11-22-16(23)14-7-3-4-8-15(14)17(22)24/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide has a molecular weight of 328.42 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111144978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).